Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester

Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester

InChI
InChI=1S/C18H15ClFNO6/c19-14-6-2-7-15(20)18(14)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2
InChI Key
YGFDSOFEVKGBLX-UHFFFAOYSA-N
Formula
C18H15ClFNO6
SMILES
O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1cccc([N+](=O)[O-])c1
Molecular Weight1
395.77
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 56.67 kJ/mol Joback Calculated Property
logPoct/wat 4.206 Crippen Calculated Property
McVol 263.270 ml/mol McGowan Calculated Property
Inp [3037.00; 3037.00]   Show Hide
Inp 3037.00 NIST
Inp 3037.00 NIST
Tfus 334.31 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [361.92; 779.58] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.69040e+01
Coefficient B1.38586e+00
Coefficient C-7.42680e-04
Coefficient D9.95000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.92 J/mol×K 273.00 Calculated Property
Cp,gas 438.64 J/mol×K 353.78 Calculated Property
Cp,gas 507.06 J/mol×K 434.56 Calculated Property
Cp,gas 567.47 J/mol×K 515.33 Calculated Property
Cp,gas 620.20 J/mol×K 596.11 Calculated Property
Cp,gas 665.56 J/mol×K 676.89 Calculated Property
Cp,gas 703.86 J/mol×K 757.67 Calculated Property
Cp,gas 735.42 J/mol×K 838.44 Calculated Property
Cp,gas 760.56 J/mol×K 919.22 Calculated Property
Cp,gas 779.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2,4,6-trichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 2-fluorophenyl 3-nitrobenzyl ester. Glutaric acid, 2,3-dichlorophenyl 3-nitrobenzyl ester. Glutaric acid, 3-chlorophenyl 3-nitrobenzyl ester. Glutaric acid, naphth-2-ylmethyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-chlorobenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-methoxybenzyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-phenoxybenzyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-naphthylmethyl ester. Tetrahydrocannabinol. Nefazodone. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Naloxone, bis(trimethylsilyl) ether. Ibogaine. Oxycodone tms derivative.

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.